N-(4-bromanyl-2-methyl-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O4S/c1-9-6-10(17)2-4-12(9)18-15(21)8-25-16-19-13-7-11(20(22)23)3-5-14(13)24-16/h2-7H,8H2,1H3,(H,18,21)